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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:20 UTC
Update Date2025-03-21 18:39:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127864
Frequency20.0
Structure
Chemical FormulaC8H7NO4S
Molecular Mass213.0096
SMILESO=S(=O)(O)OC1=Nc2ccccc2C1
InChI KeyOJOLLLRIZCCJSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • azacycle
  • indole
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound